Summary

IMPPAT Phytochemical identifier: IMPHY014270

Phytochemical name: 1,2-Dihydro-1,3,8-trihydroxy-2-methylanthraquinone

Synonymous chemical names:
1,2-dihydro-1,3,8-trihydroxy-2-methylanthraquinone

External chemical identifiers:
CID:13915506

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Chemical structure information

SMILES:
O=C1C=C2C(=C(O)c3c(C2=O)cccc3O)C(C1C)O

InChI:
InChI=1S/C15H12O5/c1-6-10(17)5-8-12(13(6)18)15(20)11-7(14(8)19)3-2-4-9(11)16/h2-6,13,16,18,20H,1H3

InChIKey:
BJOLKPJTRXMOGP-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC=CO)ccC6=O))cccc6O))))))))CC6C))O

Functional groups:
CO, O=C1C=C2C(=O)ccC(O)=C2CC1, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C(=O)c3ccccc3C=C2CC1

Scaffold Graph/Node level:
OC1CCC2CC3CCCCC3C(O)C2C1

Scaffold Graph level:
CC1CCC2CC3CCCCC3C(C)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.556

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Chemical structure download